ChemSpider 2D Image | 1-(3-Bromophenyl)-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-5-oxo-3-pyrrolidinecarboxamide | C23H26BrFN4O2

1-(3-Bromophenyl)-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC23H26BrFN4O2
  • Average mass489.380 Da
  • Monoisotopic mass488.122314 Da
  • ChemSpider ID33367741

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(3-Bromophenyl)-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl}-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(3-Bromophényl)-N-{2-[4-(4-fluorophényl)-1-pipérazinyl]éthyl}-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-(3-Bromphenyl)-N-{2-[4-(4-fluorphenyl)-1-piperazinyl]ethyl}-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(3-bromophenyl)-N-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-5-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 738.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.6±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 6.26
ACD/KOC (pH 5.5): 60.96
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 75.44
ACD/KOC (pH 7.4): 735.23
Polar Surface Area: 56 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement